RefChem:1084245
TL;DR: RefChem:1084245 (CAS 59202-88-9) is a chemical compound with molecular formula C47H74N2O16 and molecular weight 922.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(3-aminophenyl)prop-2-enoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione
Also Known As: Erythromycin, 9-deoxo-6,9-epoxy-9-hydroxy-, cyclic 11,12-carbonate, (9S)-, 3-(3-aminophenyl)-2-propenoate (salt), RefChem:1084245
| Molecular Formula | C47H74N2O16 |
|---|---|
| Molecular Weight | 922.50 g/mol |
| LogP | 4.4918 |
| Topological Polar Surface Area | 244.46 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 9 |
| Exact Mass | 922.50385 |
| Heavy Atoms | 65 |
| Complexity | 1851.852 |
Chemical Identifiers
| CAS Number | 59202-88-9 |
|---|---|
| SMILES | CCC1C2(C(C(C3(C(CC(O3)(C(C(C(C(C(=O)O1)C)OC4CC(C(C(O4)C)O)(C)OC)C)OC5C(C(CC(O5)C)N(C)C)O)C)C)O)C)OC(=O)O2)C.C1=CC(=CC(=C1)N)/C=C/C(=O)O |
Product Overview
RefChem:1084245 (CAS 59202-88-9), with molecular formula C47H74N2O16 and molecular weight 922.50 g/mol. IUPAC: (E)-3-(3-aminophenyl)prop-2-enoic acid;14-[4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-8-ethyl-1-hydroxy-12-(5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl)oxy-2,7,11,13,15,17-hexamethyl-4,6,9,18-tetraoxatricyclo[13.2.1.03,7]octadecane-5,10-dione.
Chemical Property Profile of RefChem:1084245
Property Insights of RefChem:1084245
The XLogP value of 4.4918 indicates that RefChem:1084245 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 244.46 Ų indicates high polarity, suggesting RefChem:1084245 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1084245 has 5 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1084245?
The CAS number of RefChem:1084245 is 59202-88-9.
What is the molecular formula of RefChem:1084245?
The molecular formula of RefChem:1084245 is C47H74N2O16.
What is the molecular weight of RefChem:1084245?
The molecular weight of RefChem:1084245 is 922.50 g/mol.
Where can I buy RefChem:1084245?
You can request a quote for RefChem:1084245 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1084245?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1084245 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.